1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone

C13H7ClO2S — CID 107359428

IUPAC1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone
SMILESO=C(c1sccc1Cl)c1coc2ccccc12
InChIInChI=1S/C13H7ClO2S/c14-10-5-6-17-13(10)12(15)9-7-16-11-4-2-1-3-8(9)11/h1-7H
InChIKeyXSQVAEAIKVTVJI-UHFFFAOYSA-N
MW262.72 g/mol
LogP4.38
Rot. Bonds2

About 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone

1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone (PubChem CID 107359428) has the molecular formula C13H7ClO2S and a molecular weight of 262.72 g/mol. Its IUPAC name is 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone
PubChem CID107359428
Molecular FormulaC13H7ClO2S
Molecular Weight262.72 g/mol
Exact Mass261.99
IUPAC Name1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone
SMILESO=C(c1sccc1Cl)c1coc2ccccc12
InChIInChI=1S/C13H7ClO2S/c14-10-5-6-17-13(10)12(15)9-7-16-11-4-2-1-3-8(9)11/h1-7H
InChIKeyXSQVAEAIKVTVJI-UHFFFAOYSA-N
XLogP4.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone (CID 107359428) is 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone is O=C(c1sccc1Cl)c1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone?
The InChIKey is XSQVAEAIKVTVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClO2S/c14-10-5-6-17-13(10)12(15)9-7-16-11-4-2-1-3-8(9)11/h1-7H.
What are the key properties of 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone?
1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone has a molecular weight of 262.72 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 107359428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).